1-(2-Diethylaminoethylamino)-7-methoxy-4-methyl-thioxanthen-9-one
Basic information
- CAS
80568-56-5- Standard SMILES
CCN(CC)CCNc1ccc(C)c2sc3ccc(OC)cc3c(=O)c12- InChIKey
OXHLLQBQFXYRIF-UHFFFAOYSA-N- Molecular formula
- C21H26N2O2S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.17149925
Names & identifiers
- Preferred name
- 1-(2-Diethylaminoethylamino)-7-methoxy-4-methyl-thioxanthen-9-one
- IUPAC
- 1-[2-(diethylamino)ethylamino]-7-methoxy-4-methylthioxanthen-9-one
Names & synonyms
80568-56-5NSC3179191-(2-diethylaminoethylamino)-7-methoxy-4-methyl-thioxanthen-9-one1-{[2-(DIETHYLAMINO)ETHYL]AMINO}-7-METHOXY-4-METHYL-9H-THIOXANTHEN-9-ONE1-((2-(Diethylamino)ethyl)amino)-7-methoxy-4-methyl-9H-thioxanthen-9-oneCHEMBL72911SCHEMBL2371841SCHEMBL10997661DTXSID403175481-[2-(diethylamino)ethylamino]-7-methoxy-4-methylthioxanthen-9-oneNSC-3179199H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7-methoxy-4-methyl-
Database identifiers
- CAS
80568-56-5- PubChem CID
- 330302
- DTXSID
DTXSID40317548- ChEMBL
CHEMBL72911
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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